SCHEMBL28577452

SCHEMBL28577452

CC(=O)N1c2ccc(C3CC(OC4CCN(C(=O)OC(C)(C)C)CC4)C3=O)cc2Sc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 3/20 0.45
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ GPR119 Q8TDV5 9/20 0.36
▸ KCNH2 Q12809 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ GAA P10253 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26017756 0.82 SNCA (0.54) SNCAMAPTLMNAALDH1A1KDM4E
SCHEMBL21820325 0.82 SNCA (0.54) SNCAMAPTLMNAALDH1A1KDM4E
SCHEMBL28570456 0.81 SNCA (0.46) SNCAMAPTLMNAALDH1A1KDM4E
SCHEMBL21751996 0.71 SNCA (0.58) SNCAMAPTLMNAALDH1A1KDM4E
SCHEMBL31334387 0.70 ALDH1A1 (0.54) MAPTLMNAALDH1A1GPR119
SCHEMBL1208152 0.70 SNCA (0.86) SNCAMAPTLMNAKDM4EGAA
SCHEMBL29850622 0.70 SNCA (0.86) SNCAMAPTLMNAKDM4EGAA
SCHEMBL21752128 0.69 GPR119 (0.48) SNCAMAPTLMNAALDH1A1GPR119
SCHEMBL26017758 0.69 GPR119 (0.48) SNCAMAPTLMNAALDH1A1GPR119
SCHEMBL4736392 0.67 MAPT (0.65) MAPTLMNAALDH1A1KDM4EGPR119

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112912376-A Proteolytic targeted chimeric (PROTAC) compounds with E3 ubiquitin ligase binding activity and targeting alpha-synuclein for the treatment of neurodegenerative diseases 阿尔维纳斯运营股份有限公司 2021-06-04 — — CN disclosed
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